2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine

C11H10Cl2N2OS2 — CID 114082858

IUPAC2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine
SMILESClc1cc(-c2csc(C3CNCCO3)n2)c(Cl)s1
InChIInChI=1S/C11H10Cl2N2OS2/c12-9-3-6(10(13)18-9)7-5-17-11(15-7)8-4-14-1-2-16-8/h3,5,8,14H,1-2,4H2
InChIKeyUGBQPJIVETXRCC-UHFFFAOYSA-N
MW321.25 g/mol
LogP3.84
Rot. Bonds2

About 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine

2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine (PubChem CID 114082858) has the molecular formula C11H10Cl2N2OS2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine
PubChem CID114082858
Molecular FormulaC11H10Cl2N2OS2
Molecular Weight321.25 g/mol
Exact Mass319.96
IUPAC Name2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine
SMILESClc1cc(-c2csc(C3CNCCO3)n2)c(Cl)s1
InChIInChI=1S/C11H10Cl2N2OS2/c12-9-3-6(10(13)18-9)7-5-17-11(15-7)8-4-14-1-2-16-8/h3,5,8,14H,1-2,4H2
InChIKeyUGBQPJIVETXRCC-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine
CID 177183973
ethane;2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 177183918
(2R)-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 177184063
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 94782519
ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide
CID 146083082
2-(2-propan-2-yl-1,3-thiazol-4-yl)morpholine
CID 82660630
2-(2-cyclohexyl-1,3-thiazol-4-yl)morpholine
CID 116890353
1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 114082841
2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
CID 19974265
2-(5-bromothiophen-3-yl)morpholine
CID 131207648
2-(1,5-dimethylpyrazol-3-yl)morpholine
CID 82601049
1-(2-morpholin-2-yl-1,3-thiazol-4-yl)imidazole-4-carboxylic acid
CID 166747002

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine (CID 114082858) is 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine is Clc1cc(-c2csc(C3CNCCO3)n2)c(Cl)s1.
What is the InChIKey of 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is UGBQPJIVETXRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS2/c12-9-3-6(10(13)18-9)7-5-17-11(15-7)8-4-14-1-2-16-8/h3,5,8,14H,1-2,4H2.
What are the key properties of 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine?
2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 321.25 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 114082858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).